N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide

C29H27FN2O5S — CID 98294327

About N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide

N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide (PubChem CID 98294327) has the molecular formula C29H27FN2O5S and a molecular weight of 534.61 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
• PubChem CID: 98294327
• Molecular Formula: C29H27FN2O5S
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.16
• IUPAC Name: N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)Cc2ccco2)c1
• InChI: InChI=1S/C29H27FN2O5S/c1-35-22-7-2-5-20(15-22)29(34)31(17-24-9-4-13-36-24)18-28(33)32-12-10-27-25(11-14-38-27)26(32)19-37-23-8-3-6-21(30)16-23/h2-9,11,13-16,26H,10,12,17-19H2,1H3/t26-/m0/s1
• InChIKey: SXKXDCNOKMLDOM-SANMLTNESA-N
• XLogP: 5.34
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

The IUPAC name of N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide (CID 98294327) is N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide.

What is the SMILES notation for N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

The canonical SMILES for N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)Cc2ccco2)c1.

What is the InChIKey of N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

The InChIKey is SXKXDCNOKMLDOM-SANMLTNESA-N. The full InChI is InChI=1S/C29H27FN2O5S/c1-35-22-7-2-5-20(15-22)29(34)31(17-24-9-4-13-36-24)18-28(33)32-12-10-27-25(11-14-38-27)26(32)19-37-23-8-3-6-21(30)16-23/h2-9,11,13-16,26H,10,12,17-19H2,1H3/t26-/m0/s1.

What are the key properties of N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide has a molecular weight of 534.61 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 98294327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).